methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate

C14H11ClFNO2 — CID 67469548

IUPACmethyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-5-9(14(18)19-2)6-13(17-8)11-7-10(15)3-4-12(11)16/h3-7H,1-2H3
InChIKeyYGRJHQRSYKIORL-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.64
Rot. Bonds2

About methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate

methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate (PubChem CID 67469548) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
PubChem CID67469548
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Namemethyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-5-9(14(18)19-2)6-13(17-8)11-7-10(15)3-4-12(11)16/h3-7H,1-2H3
InChIKeyYGRJHQRSYKIORL-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895367
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397
methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
CID 39732995
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate (CID 67469548) is methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(-c2cc(Cl)ccc2F)c1.
What is the InChIKey of methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate?
The InChIKey is YGRJHQRSYKIORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-5-9(14(18)19-2)6-13(17-8)11-7-10(15)3-4-12(11)16/h3-7H,1-2H3.
What are the key properties of methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate?
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate has a molecular weight of 279.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 67469548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).